Chlorocresol

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  • Identifiers

    CAS number
    59-50-7

    Molecular formula
    C7H7ClO

    SMILES
    CC1=C(C=CC(=C1)O)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 75.8%
    Medicinal 48.04%
    Woody 46.92%
    Smoky 43.85%
    Spicy 39.19%
    Leathery 39.17%
    Sweet 37.96%
    Animal 36.97%
    Burnt 35.84%
    Dry 33.6%

     

    Flavor
    Phenolic 53.28%
    Bitter 39.43%
    Medicinal 34.5%
    Mild 33.93%
    Meaty 28.16%
    Smoke 25.99%
    Medical 25.11%
    Flat 25.02%
    Musty 23.88%
    Nutty 23.48%

     

    Odor impact est.
    Low

    Odor threshold

    • detection: 0.1 mg/kg

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.7 (weak base)

    Molecular weight
    142.58 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 151 °F (NTP, 1992)
    • 67 °C
    • MP: 55.5 °C and 66 °C (ligroin) ... Volatile with steam
    • 66 °C

    Boiling point

    • 455 °F at 760 mmHg (NTP, 1992)
    • 235 °C

    Flash point

    • 100.06 ˚C est.
    • 230 °F (NTP, 1992)
    • 118 °C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Soluble in alkalies, organic solvents, fats, and oils
    • Soluble in alkalies, organic solvents, fats, and oils
    • One gram dissolves in 260 mL water at 20 °C
    • In water, 3,830 mg/L at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.38

  • Synonyms

    • 4-Chloro-3-methylphenol
    • Chlorocresol
    • 59-50-7
    • 4-Chloro-m-cresol
    • p-Chloro-m-cresol
    • Parol
    • Phenol, 4-chloro-3-methyl-
    • 4-Chloro-3-cresol
    • Ottafact
    • Baktol
    • Baktolan
    • Candaseptic
    • Parmetol
    • Peritonan
    • Raschit
    • Aptal
    • p-Chlorocresol
    • 2-Chloro-5-hydroxytoluene
    • Rasen-Anicon
    • Preventol CMK
    • Raschit K
    • 4-Chloro-5-methylphenol
    • p-Chlor-m-cresol
    • PCMC
    • 6-Chloro-3-hydroxytoluene
    • 2-Chloro-hydroxytoluene
    • Parachlorometacresol
    • 3-METHYL-4-CHLOROPHENOL
    • Chlorcresolum
    • Chlorkresolum
    • Chlorocresolo
    • Chlorocresolum
    • Chlorokresolum
    • Clorocresol
    • Perol
    • 4-Chloro-3-methyl phenol
    • Chloro-3-cresol
    • m-Cresol, 4-chloro-
    • NSC 4166
    • Rcra waste number U039
    • Clorocresolo
    • Clorocresolo [DCIT]
    • Clorocresol [Spanish]
    • Chlorocresolum [Latin]
    • Caswell No. 185A
    • para-Chloro-meta-cresol
    • Clorocresol [INN-Spanish]
    • Chlorocresolum [INN-Latin]
    • 4-chloro-meta-cresol
    • CCRIS 1938
    • CHEBI:34395
    • HSDB 5198
    • chloromethylphenol
    • NSC-4166
    • 4-Chloro-1-hydroxy-3-methylbenzene
    • EINECS 200-431-6
    • MFCD00002323
    • EPA Pesticide Chemical Code 064206
    • Chlorocresol [USAN:INN:NF]
    • BRN 1237629
    • DTXSID4021717
    • AI3-00075
    • 1-Chloro-2-methyl-4-hydroxybenzene
    • CHLOROCRESOL [II]
    • CHLOROCRESOL [MI]
    • CHLOROCRESOL [INN]
    • CHLOROCRESOL [HSDB]
    • CHLOROCRESOL [USAN]
    • CHLOROCRESOL [MART.]
    • CHLOROCRESOL [WHO-DD]
    • CHLOROCRESOL [WHO-IP]
    • DTXCID601717
    • 36W53O7109
    • EC 200-431-6
    • CHLOROCRESOL [EP MONOGRAPH]
    • CHLOROCRESOLUM [WHO-IP LATIN]
    • Clorocresol (Spanish)
    • Chlorocresolum (Latin)
    • NCGC00091338-01
    • CHLOROCRESOL (II)
    • Clorocresol (INN-Spanish)
    • Chlorocresolum (INN-Latin)
    • CHLOROCRESOL (MART.)
    • CHLOROCRESOL (EP MONOGRAPH)
    • CAS-59-50-7
    • 4-chloro-3-methyl-phenol
    • RCRA waste no. U039
    • pChlormcresol
    • pChlorocresol
    • pChloromcresol
    • Lysochlor
    • RasenAnicon
    • 4Chloromcresol
    • Chloro3cresol
    • 4Chloro3cresol
    • UNII-36W53O7109
    • 2Chlorohydroxytoluene
    • 3Methyl4chlorophenol
    • 4Chloro3methylphenol
    • 4Chloro5methylphenol
    • ATTAFACT
    • NEOPREDISAN
    • PARMATOL
    • Caswell No 185A
    • 2Chloro5hydroxytoluene
    • 6Chloro3hydroxytoluene
    • Spectrum_000130
    • 2p7a
    • Phenol, 4chloro3methyl
    • 4-chlor-3-methylphenol
    • PREVENTO 1 CMK
    • Chlorocresol (NF/INN)
    • Spectrum2_000002
    • Spectrum4_000278
    • Spectrum5_000705
    • 4-chloro-5-methyl-phenol
    • WLN: QR DG C
    • CHLOROCRESOLS, SOLID
    • CHLOROCRESOLS, LIQUID
    • SCHEMBL12344
    • 4Chloro1hydroxy3methylbenzene
    • KBioGR_000776
    • KBioSS_000590
    • MLS002152924
    • BIDD:ER0169
    • DivK1c_000768
    • Phenol, 4-chloro-5-methyl-
    • SPECTRUM1500178

  • Applications

    Chlorocresol (CAS 59-50-7) is primarily used as an antimicrobial preservative and antiseptic in cosmetics and personal care products, and is also employed in certain topical pharmaceutical formulations for preservative and antimicrobial purposes. It also serves as a biocidal component in household cleaning products and sanitizers, and appears in some coatings and inks to suppress microbial growth. In industrial manufacturing, chlorocresol is used as an intermediate in the synthesis of other phenolic biocidal compounds. Additionally, it may be considered for other industrial applications depending on formulation controls and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 389.32
    methanol 322.42
    isopropanol 296.11
    water 1.69
    ethyl acetate 285.83
    n-propanol 314.55
    acetone 305.11
    n-butanol 262.25
    acetonitrile 190.25
    DMF 370.16
    toluene 77.8
    isobutanol 194.79
    1,4-dioxane 710.33
    methyl acetate 267.82
    THF 822.17
    2-butanone 307.54
    n-pentanol 215.65
    sec-butanol 258.53
    n-hexane 21.63
    ethylene glycol 58.09
    NMP 236.27
    cyclohexane 11.94
    DMSO 332.06
    n-butyl acetate 200.56
    n-octanol 101.43
    chloroform 284.86
    n-propyl acetate 191.45
    acetic acid 177.76
    dichloromethane 215.77
    cyclohexanone 262.71
    propylene glycol 71.35
    isopropyl acetate 165.54
    DMAc 296.12
    2-ethoxyethanol 324.67
    isopentanol 202.96
    n-heptane 25.39
    ethyl formate 144.51
    1,2-dichloroethane 167.37
    n-hexanol 232.67
    2-methoxyethanol 417.32
    isobutyl acetate 118.01
    tetrachloromethane 61.2
    n-pentyl acetate 116.85
    transcutol 856.0
    n-heptanol 115.05
    ethylbenzene 46.59
    MIBK 178.1
    2-propoxyethanol 390.08
    tert-butanol 389.76
    MTBE 332.03
    2-butoxyethanol 219.11
    propionic acid 162.11
    o-xylene 60.3
    formic acid 89.62
    diethyl ether 347.08
    m-xylene 68.89
    p-xylene 64.64
    chlorobenzene 84.6
    dimethyl carbonate 102.28
    n-octane 10.25
    formamide 186.87
    cyclopentanone 339.65
    2-pentanone 259.47
    anisole 178.11
    cyclopentyl methyl ether 271.45
    gamma-butyrolactone 376.6
    1-methoxy-2-propanol 350.99
    pyridine 197.62
    3-pentanone 164.64
    furfural 266.99
    n-dodecane 9.02
    diethylene glycol 253.59
    diisopropyl ether 96.12
    tert-amyl alcohol 301.01
    acetylacetone 263.16
    n-hexadecane 10.04
    acetophenone 131.94
    methyl propionate 197.51
    isopentyl acetate 164.43
    trichloroethylene 298.67
    n-nonanol 94.8
    cyclohexanol 156.31
    benzyl alcohol 123.98
    2-ethylhexanol 118.71
    isooctanol 93.51
    dipropyl ether 152.01
    1,2-dichlorobenzene 81.17
    ethyl lactate 87.81
    propylene carbonate 183.26
    n-methylformamide 205.44
    2-pentanol 191.44
    n-pentane 19.04
    1-propoxy-2-propanol 255.3
    1-methoxy-2-propyl acetate 218.34
    2-(2-methoxypropoxy) propanol 205.46
    mesitylene 49.2
    ε-caprolactone 247.98
    p-cymene 48.92
    epichlorohydrin 442.41
    1,1,1-trichloroethane 189.03
    2-aminoethanol 139.59
    morpholine-4-carbaldehyde 406.38
    sulfolane 327.37
    2,2,4-trimethylpentane 16.98
    2-methyltetrahydrofuran 469.93
    n-hexyl acetate 160.99
    isooctane 17.35
    2-(2-butoxyethoxy)ethanol 296.45
    sec-butyl acetate 130.33
    tert-butyl acetate 214.91
    decalin 15.11
    glycerin 109.82
    diglyme 476.93
    acrylic acid 116.12
    isopropyl myristate 77.6
    n-butyric acid 206.78
    acetyl acetate 139.69
    di(2-ethylhexyl) phthalate 63.12
    ethyl propionate 149.27
    nitromethane 305.14
    1,2-diethoxyethane 299.82
    benzonitrile 113.0
    trioctyl phosphate 53.04
    1-bromopropane 122.16
    gamma-valerolactone 442.53
    n-decanol 74.24
    triethyl phosphate 75.27
    4-methyl-2-pentanol 119.35
    propionitrile 162.03
    vinylene carbonate 166.12
    1,1,2-trichlorotrifluoroethane 227.89
    DMS 125.21
    cumene 43.65
    2-octanol 81.68
    2-hexanone 198.86
    octyl acetate 91.43
    limonene 68.89
    1,2-dimethoxyethane 466.43
    ethyl orthosilicate 80.8
    tributyl phosphate 66.33
    diacetone alcohol 268.4
    N,N-dimethylaniline 114.74
    acrylonitrile 155.7
    aniline 119.92
    1,3-propanediol 214.34
    bromobenzene 73.19
    dibromomethane 144.7
    1,1,2,2-tetrachloroethane 225.39
    2-methyl-cyclohexyl acetate 112.68
    tetrabutyl urea 81.82
    diisobutyl methanol 81.88
    2-phenylethanol 149.97
    styrene 54.23
    dioctyl adipate 95.31
    dimethyl sulfate 146.78
    ethyl butyrate 140.83
    methyl lactate 100.71
    butyl lactate 97.85
    diethyl carbonate 97.78
    propanediol butyl ether 171.07
    triethyl orthoformate 105.88
    p-tert-butyltoluene 52.92
    methyl 4-tert-butylbenzoate 138.78
    morpholine 645.63
    tert-butylamine 216.14
    n-dodecanol 57.97
    dimethoxymethane 372.15
    ethylene carbonate 144.63
    cyrene 176.26
    2-ethoxyethyl acetate 186.58
    2-ethylhexyl acetate 127.4
    1,2,4-trichlorobenzene 99.06
    4-methylpyridine 193.33
    dibutyl ether 118.9
    2,6-dimethyl-4-heptanol 81.88
    DEF 220.7
    dimethyl isosorbide 316.85
    tetrachloroethylene 145.77
    eugenol 153.29
    triacetin 150.71
    span 80 160.35
    1,4-butanediol 93.86
    1,1-dichloroethane 202.94
    2-methyl-1-pentanol 179.67
    methyl formate 143.18
    2-methyl-1-butanol 189.8
    n-decane 14.39
    butyronitrile 170.52
    3,7-dimethyl-1-octanol 106.17
    1-chlorooctane 57.61
    1-chlorotetradecane 26.69
    n-nonane 13.22
    undecane 11.08
    tert-butylcyclohexane 20.21
    cyclooctane 7.19
    cyclopentanol 177.93
    tetrahydropyran 473.28
    tert-amyl methyl ether 217.15
    2,5,8-trioxanonane 347.07
    1-hexene 84.35
    2-isopropoxyethanol 245.61
    2,2,2-trifluoroethanol 84.99
    methyl butyrate 179.52

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction